3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide

C19H23N5O4 — CID 55859482

About 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide

3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide (PubChem CID 55859482) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide.

Molecular Properties

• Compound Name: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
• PubChem CID: 55859482
• Molecular Formula: C19H23N5O4
• Molecular Weight: 385.42 g/mol
• Exact Mass: 385.18
• IUPAC Name: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
• SMILES: O=C(CCn1c(=O)oc2ccccc21)NCCCn1nc2n(c1=O)CCCC2
• InChI: InChI=1S/C19H23N5O4/c25-17(9-13-22-14-6-1-2-7-15(14)28-19(22)27)20-10-5-12-24-18(26)23-11-4-3-8-16(23)21-24/h1-2,6-7H,3-5,8-13H2,(H,20,25)
• InChIKey: SZMUKMORQCYRQF-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 104.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.42
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide?

The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide (CID 55859482) is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide.

What is the SMILES notation for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide?

The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide is O=C(CCn1c(=O)oc2ccccc21)NCCCn1nc2n(c1=O)CCCC2.

What is the InChIKey of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide?

The InChIKey is SZMUKMORQCYRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c25-17(9-13-22-14-6-1-2-7-15(14)28-19(22)27)20-10-5-12-24-18(26)23-11-4-3-8-16(23)21-24/h1-2,6-7H,3-5,8-13H2,(H,20,25).

What are the key properties of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide?

3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide has a molecular weight of 385.42 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide is sourced from PubChem (CID 55859482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).